Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2408
- Core Entity Id
- 5864
- Source Entity Count
- 1
- Preferred Name
- 2-(p-tolyl)ethylamine
- Name En
- 2-(p-Tolyl)ethylamine
- Pubchem Id
- 76751
- Smiles Canonical
- CC1=CC=C(C=C1)CCN
- Molecular Formula
- C9H13N
- Molecular Weight
- 135.2100
- Inchikey
- VKJXAQYPOTYDLO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3
- Isomeric Smiles
- CC1=CC=C(C=C1)CCN
- Cas Id
- 3261-62-9
- Ob Score
- 21.2450
- Mol Logp
- 1.4962
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-(P-Tolyl)Ethylamine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-(P-Tolyl)Ethylamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-(p-Tolyl)ethylamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(p-Tolyl)ethylamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-(p-tolyl)ethylamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-(p-tolyl)ethylamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
132020_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-(4-Methylphenyl)Ethan-1-Amine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(4-Methylphenyl)Ethan-1-Amine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(4-Methylphenyl)ethanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(4-Methylphenyl)ethanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(4-methylphenyl)ethanamine
Role
alias
Source
TCMBank
Preferred
No
Name
2-(4-methylphenyl)ethylamine
Role
alias
Source
TCMBank
Preferred
No
Name
2-(4-methylphenyl)ethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(4-methylphenyl)ethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(p-Tolyl)ethanamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(p-Tolyl)ethanamine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-p-Tolyl-ethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
2-p-Tolyl-ethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
3261-62-9
Role
alias
Source
HERB_v2
Preferred
No
Name
3261-62-9
Role
alias
Source
TCMBank
Preferred
No
Name
3261-62-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methylphenethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methylphenethylamine
Role
alias
Source
TCMBank
Preferred
No
Name
4-Methylphenethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzeneethanamine, 4-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzeneethanamine, 4-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzeneethanamine, 4-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 221-865-2
Role
alias
Source
TCMBank
Preferred
No
Name
NSC30278
Role
alias
Source
TCMBank
Preferred
No
Name
p-Methylphenethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Methylphenethylamine
Role
alias
Source
TCMBank
Preferred
No
Name
p-Methylphenethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
132020_ALDRICH2-(4-Methylphenyl)Ethan-1-Amine2-(4-Methylphenyl)ethanamine2-(4-methylphenyl)ethylamine2-(p-Tolyl)ethanamine2-p-Tolyl-ethylamine3261-62-94-MethylphenethylamineBenzeneethanamine, 4-methyl-EINECS 221-865-2NSC30278p-Methylphenethylamine
Cross References
Trusted external identifiers retained for this final record.
Cas
3261-62-9
Herb
HBIN006350
Tcmsp
MOL004473
Sym Map
SMIT06393
Pub Chem
76751
Tcmbank
TCMBANKIN023133
Etcm Ingredient
2-(p-Tolyl)ethylamine
Itcmdb Generated
ITX-INGREDIENT-7167D21C048E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3
Mol Wt
135.21
Cas Id
3261-62-9
Smiles
CC1=CC=C(C=C1)CCN
Mol Log P
1.49622
Version
v1,v2
In Ch Ikey
VKJXAQYPOTYDLO-UHFFFAOYSA-N
Ob Score
21.24521.245159721.24516
Suppress
0
Num Hdonors
1
Drug Likeness
0.653
Num Hacceptors
1
Isomeric Smiles
CC1=CC=C(C=C1)CCN
Molecule Weight
135.23
Canonical Smiles
CC1=CC=C(C=C1)CCN
Herb Alias Names
4-Methylphenethylamine3261-62-92-(p-Tolyl)ethanaminep-Methylphenethylamine2-(4-Methylphenyl)ethanamineBenzeneethanamine, 4-methyl-2-p-Tolyl-ethylamine2-(4-methylphenyl)ethylamine2-(4-Methylphenyl)Ethan-1-Amine
Molecular Weight
135.100
Molecular Weight
135.21
Molecular Formula
C9H13N
Molecular Formula
C9H13N
Molecular Formula
C9H13N
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.633
Quantitative Estimate Of Drug Likeness（Qed）
0.653